HRID1136031

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

2 次

HCID223

Ammonia ion (NH4+)

H4N+

HCID312

Chloride

Cl-

HCID19660

Carbonate

CO3-2

HCID31275

1,4-Dioxane

C4H8O2

HCID104967

Cesium(1+)

Cs+

2 次

HCID105144

Palladium(2+)

Pd+2

HCID141107

Ethyl 3-(4-bromophenyl)prop-2-enoate

C11H11BrO2

结构：CN(C)c1ccccc1-c1ccccc1P(C1CCCCC1)C1CCCCC1

HCID2734217

2-Dicyclohexylphosphino-2'-(N,N-dimethylamino)biphenyl

C26H36NP

HCID2756613

1-benzylpyrrolidin-3-amine

C11H16N2

PRODUCTS

生成物

结构：CCOC(=O)C=Cc1ccc(NC2CCN(Cc3ccccc3)C2)cc1

HCID178470966

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f68647b93b534f10bb85ed6cd31327e1
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

[Br:1][c:2]1[cH:3][cH:4][c:5]([CH:8]=[CH:9][C:10](=[O:11])[O:12][CH2:13][CH3:14])[cH:6][cH:7]1.[C:43](=[O:44])([O-:45])[O-:46].[CH2:49]([c:50]1[cH:51][cH:52][cH:53][cH:54][cH:55]1)[N:56]1[CH2:57][CH:58]([NH2:61])[CH2:59][CH2:60]1.[CH:15]1([P:16]([CH:17]2[CH2:18][CH2:19][CH2:20][CH2:21][CH2:22]2)[c:23]2[cH:24][cH:25][cH:26][cH:27][c:28]2-[c:29]2[c:30]([N:31]([CH3:32])[CH3:33])[cH:34][cH:35][cH:36][cH:37]2)[CH2:38][CH2:39][CH2:40][CH2:41][CH2:42]1.[Cl-:62].[Cs+:47].[Cs+:48].[NH4+:63].[O-:71][C:72]([CH3:73])=[O:74].[O-:75][C:76]([CH3:77])=[O:78].[O:64]1[CH2:65][CH2:66][O:67][CH2:68][CH2:69]1.[Pd+2:70]>>[c:2]1([NH:61][CH:58]2[CH2:57][N:56]([CH2:49][c:50]3[cH:51][cH:52][cH:53][cH:54][cH:55]3)[CH2:60][CH2:59]2)[cH:3][cH:4][c:5]([CH:8]=[CH:9][C:10](=[O:11])[O:12][CH2:13][CH3:14])[cH:6][cH:7]1